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Information card for entry 4133996
Preview
| Coordinates | 4133996.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C236 H300 B7 F28 N28 O16 Pd12 S12 |
|---|---|
| Calculated formula | C236 H300 B7 F28 N28 O16 Pd12 S12 |
| Title of publication | Self-Assembly, Structural Transformation and Guest-Binding Properties of Supramolecular Assemblies with Triangular Metal-Metal Bonded Units. |
| Authors of publication | Wang, Li-Juan; Li, Xin; Bai, Sha; Wang, Yaoyu; Han, Ying-Feng |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2020 |
| a | 50.785 ± 0.003 Å |
| b | 23.3504 ± 0.0015 Å |
| c | 25.3445 ± 0.0017 Å |
| α | 90° |
| β | 99.525 ± 0.002° |
| γ | 90° |
| Cell volume | 29640 ± 3 Å3 |
| Cell temperature | 153 ± 2 K |
| Ambient diffraction temperature | 153.01 K |
| Number of distinct elements | 8 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.1038 |
| Residual factor for significantly intense reflections | 0.0859 |
| Weighted residual factors for significantly intense reflections | 0.2382 |
| Weighted residual factors for all reflections included in the refinement | 0.2576 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.042 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 247132 (current) | 2020-01-24 | cif/ Adding structures of 4133996 via cif-deposit CGI script. |
4133996.cif |
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